SCHEMBL2445758

SCHEMBL2445758

NC1CC(=O)N(c2ccc(OCc3cccc(F)c3)cc2)C1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 15/20 0.67
MAOA P21397 7/20 0.67
POLB P06746 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
PARP10 Q53GL7 1/20 0.50
KCNH2 Q12809 1/20 0.50
MCHR1 Q99705 1/20 0.50
NR4A2 P43354 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3367221 1.00 MAOB (0.67) MAOBMAOAPOLBNPC1RAB9A
SCHEMBL2441820 1.00 MAOB (0.67) MAOBMAOAPOLBNPC1RAB9A
Hydrochloric Acid SCHEMBL3365163 0.99 MAOB (0.66) MAOBMAOAPOLBNPC1RAB9A
Hydrochloric Acid SCHEMBL3365169 0.99 MAOB (0.66) MAOBMAOAPOLBNPC1RAB9A
Hydrochloric Acid SCHEMBL3370177 0.99 MAOB (0.66) MAOBMAOAPOLBNPC1RAB9A
SCHEMBL19863552 0.86 MAOB (0.70) MAOBMAOAPOLBNPC1RAB9A
SCHEMBL18020923 0.86 MAOB (0.70) MAOBMAOAPOLBNPC1RAB9A
SCHEMBL3365516 0.86 NPC1 (0.71) MAOBMAOAPOLBNPC1RAB9A
SCHEMBL3365524 0.86 NPC1 (0.71) MAOBMAOAPOLBNPC1RAB9A
SCHEMBL1380803 0.85 RAB9A (0.77) MAOBMAOAPOLBNPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101142182-B Method of preparation of pure 4-pyrrolidinophenylbenzyl ether derivatives as MAOB inhibitors HOFFMANN LA ROCHE 2012-06-06 CN claimed
EP-1861363-B1 METHOD OF PREPARATION OF PURE 4-PYRROLIDINOPHENYLBENZYL ETHER DERIVATIVES AS MAOB INHIBITORS HOFFMANN LA ROCHE (CH) 2011-09-28 EP claimed
US-7501528-B2 Method for preparing enantiomerically pure 4-pyrrolidino phenylbenzyl ether derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-10 US claimed
CN-101142182-A Method of preparation of pure 4-pyrrolidinophenylbenzyl ether derivatives as MAOB inhibitors HOFFMANN LA ROCHE (CH) 2008-03-12 CN claimed
US-8227505-B2 Method for preparing enantiomerically pure 4-pyrrolidino phenylbenzyl ether derivatives HOFFMAN-LA ROCHE INC. (US) 2012-07-24 US disclosed
CN-101142182-B Method of preparation of pure 4-pyrrolidinophenylbenzyl ether derivatives as MAOB inhibitors HOFFMANN LA ROCHE 2012-06-06 CN disclosed
EP-1861363-B1 METHOD OF PREPARATION OF PURE 4-PYRROLIDINOPHENYLBENZYL ETHER DERIVATIVES AS MAOB INHIBITORS HOFFMANN LA ROCHE (CH) 2011-09-28 EP disclosed
EP-1542970-B1 PYRROLIDONE DERIVATIVES AS MAOB INHIBITORS HOFFMANN LA ROCHE (CH) 2010-06-30 EP disclosed
US-20090171100-A1 METHOD FOR PREPARING ENANTIOMERICALLY PURE 4-PYRROLIDINO PHENYLBENZYL ETHER DERIVATIVES HILDBRAND STEFAN 2009-07-02 US disclosed
US-7501528-B2 Method for preparing enantiomerically pure 4-pyrrolidino phenylbenzyl ether derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-10 US disclosed
CN-100400509-C Pyrrolidone derivatives as MAOB inhibitors HOFFMANN LA ROCHE (CH) 2008-07-09 CN disclosed
CN-101142182-A Method of preparation of pure 4-pyrrolidinophenylbenzyl ether derivatives as MAOB inhibitors HOFFMANN LA ROCHE (CH) 2008-03-12 CN disclosed
US-7151111-B2 4-pyrrolidino-phenyl-benzyl ether derivatives HOFFMANN-LA ROCHE INC. (US) 2006-12-19 US disclosed
US-20060211868-A1 Method for preparing enantiomerically pure 4-pyrrolidino phenylbenzyl ether derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-09-21 US disclosed
CN-1681778-A Pyrrolidone derivatives as MAOB inhibitors HOFFMANN LA ROCHE (CH) 2005-10-12 CN disclosed
EP-1542970-A1 PYRROLIDONE DERIVATIVES AS MAOB INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2005-06-22 EP disclosed
US-20040116707-A1 4-Pyrrolidino-phenyl-benzyl ether derivatives HOFFMANN-LA ROCHE INC. 2004-06-17 US disclosed
WO-2004026825-A1 PYRROLIDONE DERIVATIVES AS MAOB INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2004-04-01 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090171100-A1 METHOD FOR PREPARING ENANTIOMERICALLY PURE 4-PYRROLIDINO PHENYLBENZYL ETHER DERIVATIVES CYP4B1, CYP3A4, PAH MAOB 227/4885MAOA 2270/4885POLB 682/4885
US-20060211868-A1 Method for preparing enantiomerically pure 4-pyrrolidino phenylbenzyl ether derivatives CYP4B1, CYP3A4, PAH MAOB 227/4885MAOA 2270/4885POLB 682/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.